Molecule

ID:61228

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N₅
Molecular Mass
269.34486
Exact Mass
269.16404563
Charge
0
InChI
InChI=1S/C15H19N5/c1-4-12-7-5-6-8-13(12)19-14(16)20-15-17-10(2)9-11(3)18-15/h5-9H,4H2,1-3H3,(H3,16,17,18,19,20)
InChIKey
MNXHLAITEKXHPP-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1NC(=N)Nc1nc(C)cc(n1)C
Isomeric Smiles
c1c(nc(nc1C)NC(=N)Nc1ccccc1CC)C
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
1.9757377
LogD (pH = 7.4)
3.0407088
Log P
3.1073227
Molar Refractivity
93.9603
Polarizability
30.106428
Polar Surface Area
73.69
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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